BDBM50026451 CHEMBL3335282

SMILES: ONC(=O)CCCCc1cnn(Cc2cccc(c2)-c2ccccc2)c1

InChI Key: InChIKey=GTBOGZJGSQYYIJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50026451   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50026451 (CHEMBL3335282) Show SMILES ONC(=O)CCCCc1cnn(Cc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-7-18-14-22-24(16-18)15-17-8-6-11-20(13-17)19-9-2-1-3-10-19/h1-3,6,8-11,13-14,16,26H,4-5,7,12,15H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair